Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019DMF_sp2_ts_pdpf3_s_transBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3572.02169297; Eh
thumbnail.jpeg3-Oct-2019DMF_sp2_ts_pdph3_c_cisBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3274.17803600; Eh
thumbnail.jpeg3-Oct-2019DMF_sp2_ts_pdpme32_c_transnoulliu_fromTHFBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3853.29214136; Eh
thumbnail.jpeg3-Oct-2019DMF_sp2_ts_pdpme32_c_transnoulliu_freqreadBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP6-31+G(D,P) SDD GEN-3853.28331552; Eh
thumbnail.jpeg3-Oct-2019DMF_sp2_ts_pdpme32_s_cisBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3853.29214135; Eh
thumbnail.jpeg3-Oct-2019DMF_sp2_ts_pdpme32_s_translliulliuBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3853.28356157; Eh
thumbnail.jpeg3-Oct-2019DMF_sp2_ts_pdpme32_s_translliufixBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3853.24210643; Eh
thumbnail.jpeg3-Oct-2019DMF_sp2_ts_pdpme3_s_cisBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3392.14411453; Eh
Results 121-128 of 128 (Search time: 0.001 seconds).